⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17993925 | 0.75 | — | — | |
| SCHEMBL8274133 | 0.75 | — | — | |
| SCHEMBL8305630 | 0.75 | — | — | |
| SCHEMBL22402476 | 0.73 | — | — | |
| SCHEMBL18673974 | 0.73 | — | — | |
| SCHEMBL2743658 | 0.73 | — | — | |
| SCHEMBL882261 | 0.73 | — | — | |
| SCHEMBL14620986 | 0.73 | — | — | |
| SCHEMBL19505612 | 0.72 | — | — | |
| SCHEMBL19413724 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220395503-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS | AGIOS PHARMACEUTICALS, INC. | 2022-12-15 | — | — | US | disclosed |
| US-10717725-B2 | Pyrrolidine GPR40 modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-07-21 | — | — | US | disclosed |
| US-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |
| EP-3138831-A1 | SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF | President and Fellows of Harvard College (US) | 2017-03-08 | — | — | EP | disclosed |